CBKinase1_005535
TL;DR: CBKinase1_005535 (CAS 690961-66-1) is a chemical compound with molecular formula C20H13ClN6OS3 and molecular weight 484.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_005535, CBKinase1_017935, UPCMLD0ENAT5891718:001, VU0188041-4, AQ-750/42050371
| Molecular Formula | C20H13ClN6OS3 |
|---|---|
| Molecular Weight | 484.00 g/mol |
| LogP | 5.3605 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.00015 |
| Heavy Atoms | 31 |
| Complexity | 1346.5432 |
Chemical Identifiers
| CAS Number | 690961-66-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=NSC(=N4)C5=CC=C(C=C5)Cl |
Product Overview
CBKinase1_005535 (CAS 690961-66-1), with molecular formula C20H13ClN6OS3 and molecular weight 484.00 g/mol. IUPAC: N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005535
Property Insights of CBKinase1_005535
The XLogP value of 5.3605 indicates that CBKinase1_005535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005535. Following Lipinski's Rule of Five, CBKinase1_005535 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_005535?
The CAS number of CBKinase1_005535 is 690961-66-1.
What is the molecular formula of CBKinase1_005535?
The molecular formula of CBKinase1_005535 is C20H13ClN6OS3.
What is the molecular weight of CBKinase1_005535?
The molecular weight of CBKinase1_005535 is 484.00 g/mol.
Where can I buy CBKinase1_005535?
You can request a quote for CBKinase1_005535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005535?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.